Vitas-M small molecule compound

methyl ({5-[4-(cyclopentyloxy)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate

Catalog ID
STK469963
SMILES COC(=O)CSc1nnc(n1C)c1ccc(cc1)OC1CCCC1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C17H21N3O3S MW 347.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O3S/c1-20-16(18-19-17(20)24-11-15(21)22-2)12-7-9-14(10-8-12)23-13-5-3-4-6-13/h7-10,13H,3-6,11H2,1-2H3
InChIKey
FIJKNNZRYZACRY-UHFFFAOYSA-N
Synonyms

CN1C(=NN=C1SCC(=O)OC)C2=CC=C(C=C2)OC3CCCC3
InChI=1SC17H21N3O3Sc12016(181917(20)241115(21)222)127914(10812)2313534613h71013H3611H212H3
methyl((5(4(cyclopentyloxy)phenyl)4methyl4H124triazol3yl)sulfanyl)acetate
methyl2((5(4cyclopentyloxyphenyl)4methyl124triazol3yl)sulfanyl)acetate
METHYL2(5(4CYCLOPENTYLOXYPHENYL)4METHYL124TRIAZOL3YLTHIO)ACETATE
MFCD06107055
ZINC000017072274
ZINC17072274

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.